[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol

C15H24N2O — CID 113380522

IUPAC[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
SMILESCCCc1cc(CO)cc(N2CC(C)C(C)C2)n1
InChIInChI=1S/C15H24N2O/c1-4-5-14-6-13(10-18)7-15(16-14)17-8-11(2)12(3)9-17/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyJDFGDYTWXIYVEC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds4

About [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol

[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol (PubChem CID 113380522) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
PubChem CID113380522
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
SMILESCCCc1cc(CO)cc(N2CC(C)C(C)C2)n1
InChIInChI=1S/C15H24N2O/c1-4-5-14-6-13(10-18)7-15(16-14)17-8-11(2)12(3)9-17/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyJDFGDYTWXIYVEC-UHFFFAOYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol?
The IUPAC name of [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol (CID 113380522) is [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol?
The canonical SMILES for [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol is CCCc1cc(CO)cc(N2CC(C)C(C)C2)n1.
What is the InChIKey of [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol?
The InChIKey is JDFGDYTWXIYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-14-6-13(10-18)7-15(16-14)17-8-11(2)12(3)9-17/h6-7,11-12,18H,4-5,8-10H2,1-3H3.
What are the key properties of [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol?
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol is sourced from PubChem (CID 113380522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).